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139332-94-8

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Basic Information
CAS No.: 139332-94-8
Name: N-ACETYL-S-GERANYLGERANYL-L-CYSTEINE
Molecular Structure:
Molecular Structure of 139332-94-8 (N-ACETYL-S-GERANYLGERANYL-L-CYSTEINE)
Formula: C25H41NO3S
Molecular Weight: 435.66
Synonyms: L-Cysteine,N-acetyl-S-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-, (E,E,E)-;L-Cysteine,N-acetyl-S-[(2E,6E,10E)-3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl]-(9CI);N-Acetyl-S-all-trans-geranylgeranyl-L-cysteine;
EINECS: 200-578-6
Density: 1.013 g/cm3
Boiling Point: 617.8 °C at 760 mmHg
Flash Point: 327.5 °C
Hazard Symbols: FlammableF
Risk Codes: 11
Safety: 7-16
Transport Information: UN 1170
PSA: 91.70000
LogP: 6.84550
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Specification

This chemical is called N-Acetyl-S-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]-L-cysteine, and its CAS registry number is 139332-94-8. With the molecular formula of C25H41NO3S, its molecular weight is 435.66. In addition, this chemical should be sealed at the temperature of -20°C.

Other characteristics of the N-Acetyl-S-[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl]-L-cysteine can be summarised as followings: (1)ACD/LogP: 5.96; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.464; (4)ACD/LogD (pH 7.4): 2.294; (5)ACD/BCF (pH 5.5): 63.698; (6)ACD/BCF (pH 7.4): 4.304; (7)ACD/KOC (pH 5.5): 132.982; (8)ACD/KOC (pH 7.4): 8.985; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 91.7 Å2; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 130.576 cm3; (15)Molar Volume: 430.152 cm3; (16)Polarizability: 51.764×10-24cm3; (17)Surface Tension: 36.958 dyne/cm; (18)Density: 1.013 g/cm3; (19)Flash Point: 327.458 °C; (20)Enthalpy of Vaporization: 100.006 kJ/mol; (21)Boiling Point: 617.841 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable. Keep it away from sources of ignition and keep container tightly closed.

You can still convert the following datas into molecular structure:
1.SMILES: CC(=CCC/C(=C/CC(/C=C(\C)/CCC=C(C)C)SC[C@@H](C(=O)O)NC(=O)C)/C)C
2.InChI: InChI=1/C25H41NO3S/c1-18(2)10-8-12-20(5)14-15-23(16-21(6)13-9-11-19(3)4)30-17-24(25(28)29)26-22(7)27/h10-11,14,16,23-24H,8-9,12-13,15,17H2,1-7H3,(H,26,27)(H,28,29)/b20-14+,21-16+/t23?,24-/m0/s1
3.InChIKey: JWDSSSFZVNGKTI-ZNANTPGKBG